N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline

C15H16FNS — CID 55024156

IUPACN-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline
SMILESCc1ccccc1NCCSc1ccc(F)cc1
InChIInChI=1S/C15H16FNS/c1-12-4-2-3-5-15(12)17-10-11-18-14-8-6-13(16)7-9-14/h2-9,17H,10-11H2,1H3
InChIKeyPNPIOVKAKNCTON-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.34
Rot. Bonds5

About N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline

N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline (PubChem CID 55024156) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline
PubChem CID55024156
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC NameN-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline
SMILESCc1ccccc1NCCSc1ccc(F)cc1
InChIInChI=1S/C15H16FNS/c1-12-4-2-3-5-15(12)17-10-11-18-14-8-6-13(16)7-9-14/h2-9,17H,10-11H2,1H3
InChIKeyPNPIOVKAKNCTON-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 55194770
N-[2-(4-bromophenyl)sulfanylethyl]-2-methylaniline
CID 63517764
N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline
CID 62577630
4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline
CID 55024188
2-chloro-3-methyl-N-(2-phenylsulfanylethyl)aniline
CID 114252002
4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline
CID 62577601
2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline
CID 62578988
2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline
CID 62577112
N-[2-(2-methoxyethylsulfanyl)ethyl]-2-methylaniline
CID 62576577
4-fluoro-2-iodo-N-(2-phenylsulfanylethyl)aniline
CID 79769087
2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]aniline
CID 107782529
2-methyl-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62579535

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline?
The IUPAC name of N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline (CID 55024156) is N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline is Cc1ccccc1NCCSc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline?
The InChIKey is PNPIOVKAKNCTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-12-4-2-3-5-15(12)17-10-11-18-14-8-6-13(16)7-9-14/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline?
N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline has a molecular weight of 261.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline is sourced from PubChem (CID 55024156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).